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ASINEX-ZINC04385371

 MMsINC code: MMs00330082
Type: Neutral
Formula: C15H15ClN2O2
SMILES:   Clc1cccc(NC(=O)c2occc2)c1N1CCCC1
InChI:   InChI=1/C15H15ClN2O2/c16-11-5-3-6-12(14(11)18-8-1-2-9-18)17-15(19)13-7-4-10-20-13/h3-7,10H,1-2,8-9H2,(H,17,19)

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Potential Energy
Epot(MMFF94)=145.231 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.75 g/mol  logS: -4.32052  SlogP: 3.7855  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0729163  Sterimol/B1: 2.5575  Sterimol/B2: 3.22674  Sterimol/B3: 3.48217
  Sterimol/B4: 8.19638  Sterimol/L: 13.9909 
 
 Surface and Volume Properties
  Accessible surface: 501.025  Positive charged surface: 289.279  Negative charged surface: 211.746  Volume: 264.25
  Hydrophobic surface: 438.239  Hydrophilic surface: 62.786
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.